[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(1,4-oxazepan-4-ylmethyl)phenoxy]azetidin-1-yl]methanone

C25H28N4O5 — CID 123471111

IUPAC[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(1,4-oxazepan-4-ylmethyl)phenoxy]azetidin-1-yl]methanone
SMILESCOc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CCCOCC5)cc4)C3)o2)cc1
InChIInChI=1S/C25H28N4O5/c1-31-20-9-5-19(6-10-20)23-26-27-24(34-23)25(30)29-16-22(17-29)33-21-7-3-18(4-8-21)15-28-11-2-13-32-14-12-28/h3-10,22H,2,11-17H2,1H3
InChIKeyYJQKVKQPRXATHT-UHFFFAOYSA-N
MW464.52 g/mol
LogP2.87
Rot. Bonds7

About [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(1,4-oxazepan-4-ylmethyl)phenoxy]azetidin-1-yl]methanone

[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(1,4-oxazepan-4-ylmethyl)phenoxy]azetidin-1-yl]methanone (PubChem CID 123471111) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(1,4-oxazepan-4-ylmethyl)phenoxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(1,4-oxazepan-4-ylmethyl)phenoxy]azetidin-1-yl]methanone
PubChem CID123471111
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Name[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(1,4-oxazepan-4-ylmethyl)phenoxy]azetidin-1-yl]methanone
SMILESCOc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CCCOCC5)cc4)C3)o2)cc1
InChIInChI=1S/C25H28N4O5/c1-31-20-9-5-19(6-10-20)23-26-27-24(34-23)25(30)29-16-22(17-29)33-21-7-3-18(4-8-21)15-28-11-2-13-32-14-12-28/h3-10,22H,2,11-17H2,1H3
InChIKeyYJQKVKQPRXATHT-UHFFFAOYSA-N
XLogP2.87
TPSA90.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(1,4-oxazepan-4-ylmethyl)phenoxy]azetidin-1-yl]methanone with MolForge

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Related Compounds

(5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)(3-(4-(2-oxa-6-azaspiro(3.3)hept-6-ylmethyl)phenoxy)-1-azetidinyl)methanone
CID 49801838
1-{-4-[(1-{[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbonyl}azetidin-3-yl)oxy]-2-methylphenyl}-N,N-dimethylmethanamine
CID 56597851
(3-(4-(6-Oxa-2-azaspiro[3.4]octan-2-ylmethyl)-3-methylphenoxy)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 71226268
[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]phenoxy]azetidin-1-yl]methanone
CID 127030367
(3-(4-(2-Oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 49801837
[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]azetidin-1-yl]methanone
CID 56597407
[3-[3-Methoxy-4-(morpholin-4-ylmethyl)phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 56597542
N,N-dimethyl-1-[3-methyl-4-({1-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbonyl]azetidin-3-yl}oxy)phenyl]methanamine
CID 56597689
[3-[4-[(Dimethylamino)methyl]-3-fluorophenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 56597988
1-[2-Fluoro-4-({1-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbonyl]azetidin-3-yl}oxy)benzyl]-4-methylpiperazine
CID 56597990
[3-[3-Fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 56597991
[3-[4-[(Dimethylamino)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 56598130

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(1,4-oxazepan-4-ylmethyl)phenoxy]azetidin-1-yl]methanone?
The IUPAC name of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(1,4-oxazepan-4-ylmethyl)phenoxy]azetidin-1-yl]methanone (CID 123471111) is [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(1,4-oxazepan-4-ylmethyl)phenoxy]azetidin-1-yl]methanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(1,4-oxazepan-4-ylmethyl)phenoxy]azetidin-1-yl]methanone?
The canonical SMILES for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(1,4-oxazepan-4-ylmethyl)phenoxy]azetidin-1-yl]methanone is COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CCCOCC5)cc4)C3)o2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(1,4-oxazepan-4-ylmethyl)phenoxy]azetidin-1-yl]methanone?
The InChIKey is YJQKVKQPRXATHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-31-20-9-5-19(6-10-20)23-26-27-24(34-23)25(30)29-16-22(17-29)33-21-7-3-18(4-8-21)15-28-11-2-13-32-14-12-28/h3-10,22H,2,11-17H2,1H3.
What are the key properties of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(1,4-oxazepan-4-ylmethyl)phenoxy]azetidin-1-yl]methanone?
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(1,4-oxazepan-4-ylmethyl)phenoxy]azetidin-1-yl]methanone has a molecular weight of 464.52 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(1,4-oxazepan-4-ylmethyl)phenoxy]azetidin-1-yl]methanone is sourced from PubChem (CID 123471111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).